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MolNFT v1 · #114273 · protein + DNA

Structure model of SAP1-DNA complex

5B7J · Switch-activating protein 1: “Structure model of SAP1-DNA complex”. Solution nmr, 3 pockets (best druggability 0.56). MolNFT v1 #114273 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5B7J
Type
protein + DNA
Length
135 residues
Chains
3
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Switch-activating protein 1; DNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*AP*TP*AP*TP*T)-3'); DNA…
UniProt
P40847
Pockets
3 · best druggability 0.56

Structure

solution nmr · 3 distinct chains · 62% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASwitch-activating protein 1protein11162% helix, 0% strandP40847
BDNA (5'-D(*CP*AP*AP*AP*AP*CP*AP*AP*TP*AP*TP*T)-3')dna12——
CDNA (5'-D(*AP*AP*TP*AP*TP*TP*GP*TP*TP*TP*TP*G)-3')dna12——

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12070.560.7927empty
21620.510.7923empty
3500.300.7710empty

Interfaces

3 interfaces between chains.

  • A–B · 630 Ų buried · 9 hydrogen bonds · protein-nucleic
  • A–C · 587 Ų buried · 11 hydrogen bonds · protein-nucleic
  • B–C · 557 Ų buried · 52 hydrogen bonds · nucleic-nucleic

Compared structures

  • 5B7J · Structure model of Sap1-DNA complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P40847 · AlphaFold monomer V2.0 prediction for switch-activating protein 1 (P40847) · a predicted model of the same protein · chain A against A, TM-score 0.87

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